4-(2',6'-Dimethylphenoxy)phthalonitrile - ≥99% , CAS No.221302-75-6

CAS: 221302-75-6 Cat. No.: D154534 Formula: C16H12N2O Molecular Weight: 248.29 EC Number: 678-110-9
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
LJUVUOSWARAIBZ-UHFFFAOYSA-N | 1,2-Dicyano-4-(2',6'-dimethylphenoxy)benzene | T70585 | SCHEMBL522176 | AKOS003653018 | DTXSID30359210 | 4-(2',6'-Dimethylphenoxy)phthalonitrile | 4-(2,6-dimethylphenoxy)phthalonitrile | 4-(2,6-Dimethyl-phenoxy)-phthalonitril
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
Size
USA
Germany (EU)*
Price
Qty
1g
D154534-1g
Made to order · 8–12 wks
$109.90
5g
D154534-5g
Made to order · 8–12 wks
$369.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
LJUVUOSWARAIBZ-UHFFFAOYSA-N | 1,2-Dicyano-4-(2',6'-dimethylphenoxy)benzene | T70585 | SCHEMBL522176 | AKOS003653018 | DTXSID30359210 | 4-(2',6'-Dimethylphenoxy)phthalonitrile | 4-(2,6-dimethylphenoxy)phthalonitrile | 4-(2,6-Dimethyl-phenoxy)-phthalonitril
Specifications & Purity
≥99%
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Canonical SmilesCC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N
IUPAC Name4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
InChIKeyLJUVUOSWARAIBZ-UHFFFAOYSA-N
INCHI1S/C16H12N2O/c1-11-4-3-5-12(2)16(11)19-15-7-6-13(9-17)14(8-15)10-18/h3-8H,1-2H3
Isomeric SMILES CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N
Molecular Weight 248.29
Reaxy-Rn 15534334
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15534334&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylethers
Intermediate Tree Nodes Not available
Direct ParentDiphenylethers
Alternative Parents Diarylethers  m-Xylenes  Phenoxy compounds  Phenol ethers  Benzonitriles  Nitriles  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylether - Diaryl ether - Benzonitrile - Phenol ether - Phenoxy compound - Xylene - M-xylene - Nitrile - Ether - Carbonitrile - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
L2502298Certificate of AnalysisNov 15, 2025 D154534
L2502299Certificate of AnalysisNov 15, 2025 D154534
Chemical and Physical Properties
SolubilitySoluble in Methanol
SensitivityLight Sensitive
Melt Point(°C)109.0 to 112.0 °C
Molecular Weight248.280 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass248.095 Da
Monoisotopic Mass248.095 Da
Topological Polar Surface Area56.800 Ų
Heavy Atom Count19
Formal Charge0
Complexity391.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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